CID 4635707

1,3-dimethyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C5H7ClN2O2S
SMILES
CC1=NN(C=C1S(=O)(=O)Cl)C
InChI
InChI=1S/C5H7ClN2O2S/c1-4-5(11(6,9)10)3-8(2)7-4/h3H,1-2H3
InChIKey
AFFSTQSBJFQGPY-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

193.99167 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.99895 139.5
[M+Na]+ 216.98089 151.4
[M+NH4]+ 212.02549 146.9
[M+K]+ 232.95483 146.3
[M-H]- 192.98439 138.5
[M+Na-2H]- 214.96634 143.4
[M]+ 193.99112 141.5
[M]- 193.99222 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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